Hopping and optical absorption of electrons in nano-porous crystal 12CaO·7Al2O3

Recently it has been discovered that a nano-porous main group oxide 12CaO·7Al₂O₃ (C12A7) can be converted from a wide-gap insulator to a good transparent conductor. Using ab initio modelling we explain good conductivity of this material by very small barriers for hopping of localised electrons between neighbouring positive cages. We show that optical absorption of C12A7 in infrared region and at energies higher than 2.7 eV is due to inter-cage and intra-cage electron transitions, respectively. The proposed mechanisms can be useful in further search for conducting transparent media.     

On the Limitation of Net Algorithm for Enumerating Isomeric Structures of Giant Fullerenes

Application of our net algorithm to the generation of all possible IPR isomers for giant fullerenes C_n, n=102 to 120, missed nine out of 39,621 possible structures. Analysis revealed that the omission of too small and too large cap triangles was the reason. Within the range of fullerenes studied, the missed structures are of high-energy and do not affect the distribution of significantly low-energy isomers.     

Electron transport in InGaO3(ZnO)m (m=integer) studied using single-crystalline thin films and transparent MISFETs

We have investigated the characteristics of transparent metal-insulator-semiconductor field-effect transistors (MISFETs) fabricated using InGaO₃(ZnO)_m (m=integer) single-crystalline thin films as n-channel layers and amorphous alumina as gate insulator films. The MISFETs exhibit good characteristics such as insensitivity to visible light illumination, off-current as low as ∼1 nA with a positive threshold voltage of ∼3 V and on/off current ratio of 10⁵. The field-effect mobility increased from ∼1 to ∼10 cm² (V s)⁻¹ as the m-value increased. Room temperature Hall mobility also increased. However, unexpectedly these values were lower than the field-effect mobility. It is explained by existence of shallow localized state in the homologous compounds.     

Doubly Bonded C60 Dimers and Congeners: Computational Studies of Structures, Bond Energies and Transformations

Initial steps of thermal transformation from doubly bonded [2+2] (1) and [4+4] (2) dimers of C₆₀ have been analyzed on the basis of computed structural features and Pople's energy partition scheme. Completely conjugated C₁₂₀ structures 3 and 4 are found to be considerably stable and proposed to be important intermediates. The linkage patterns in 3 and 4 are also likely to appear in the repeating units of the metastable dimer and polymer phases of A₁ crystals.     

Hot-carrier effects in scaled MOS devices

A universal guideline and state-of-the-art hot-carrier effects in scaled MOSFETs are reviewed and discussed from the viewpoints of 1) DC and AC hot-carrier effects, 2) hot-carrier detrapping phenomena, 3) mechanical stress effects on hot-carrier phenomena, and 4) hot-carrier resistant device structures.In the deep-submicron region, the hot-carrier applicable voltage is less than 3 V, so AC hot-carrier effects from the dynamic operation of actual circuits should be taken into account. Despite much experimentation and analysis, there is still no universally accepted theory that explain the AC degradation mechanism. This is because the noise caused by the wiring inductance in ULSI circuits and in measurement systems screens the intrinsic AC hot-carrier effects.Here, AC hot-carrier degradation enhanced by gate pulse-induced-noise is analyzed experimentally and theoretically. After eliminating the noise problem, it is found that AC hot-carrier degradation in LDD (Lightly doped drain) and GOLD (gate-drain overlapped device) structures can be estimated based on DC degradation in terms of the effective stress time which takes the duty ratio into account. In addition, it is found that the noise is negligible when the wiring inductance is smaller that 80 nH (250 mω), which is important for future circuit design.Furthermore, hot-carrier detrapping effects, especially in p-channel MOS devices, and hot-carrier phenomena under mechanical stress are investigated experimentally to better understand the underlying hot-carrier physics. Finally, future hot-carrier resistant device structures are discussed.     

Numerical analysis of wave-type heat transfer propagating in a thin foil irradiated by short-pulsed laser

This paper presents a numerical simulation of wave-type heat transfer phenomena propagating in an aluminum thin foil irradiated by a pulsed laser using the cubic interpolated propagation method coupled with a thermo-convective model. We did not use the two-step model and dual-phase lag model, which are generally known as the non-Fourier heat conduction law, but wave-type heat transfer phenomena could be observed by our method. The main characteristic of the method is to solve the governing equation including the equation of continuity, the equation of motion, the equation of energy and the equation of state. It is found that when the pulse duration is under the order of picosecond, the pure heat conduction is hardly observed and heat transfer toward the inside of materials occurs only by a thermal shock wave. The heat conduction mode after pulse laser irradiation is strongly dependent upon the value of total incident laser energy density E_in and the threshold value for pure heat conduction is 5.0 × 10⁴ J/m² for an aluminum.     

BaO—CaO—Na2O—CaF2—Cr2O3渣系的不锈钢脱磷

测定了１５００℃时磷在ＢａＯ－ＣａＯ－Ｎａ２Ｏ－ＣａＦ２－Ｃｒ２Ｏ３渣子和０．１２Ｃ－０．７１Ｓｉ－１８Ｃｒ不锈钢熔体之间的分配比，试验结果表明，该渣系的不锈钢脱磷能力比ＣａＯ基渣好，与ＢａＯ基渣相当。     

Thermal Transformation of Ring-Opened [2 2] C60 Dimer into a Wide-Bridged C120 Isomer. A Computational Evaluation of Fulvalene-Naphthalene Rearrangements

As a continuation of the studies on thermal transformation of the [2+2] C₆₀ dimer (1), the consequence of the pyracylene-rearrangement-like valence isomerization of the fulvalene partial structure at the bridge of the ring-opened product from 1, namely 2, was searched by dynamic reaction coordinate /AM1 semiempirical MO calculations. It is predicted that the fulvalene bridge of 2 rearranges into naphthalene partial structure by the concerted 'in-plane' mechanism to give a wide-bridged C₁₂₀ intermediate having twenty five-membered rings and two ten-membered rings (3). The computed energy of activation (145 kcal/mol) is 40 kcal/mol lower than those computed for pyracylene rearrangements. In contrast, the recently reported analogous rearrangement of indigo (13) to dibenzonaphthyridindione (14) is computed to occur by the stepwise 'sp³' mechanism.